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Compound Detail

CHEMBL1185396

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COc1ccccc1C(=O)NC(=O)OC1CC2CCC(C1)N2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1185396
Phase Preclinical
Structure Type MOL
InChI Key ZGVSCPHVLWZKRL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

318.4
MW (Da)
2.19
ALogP
5
HBA
1
HBD
67.9
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H22N2O4
MW 318.37
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.14

Data from ChEMBL 36 via Core Engine